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4-methyl-2-(2-methylprop-1-enyl)tetrahydropyran
4-methyl-2-(2-methylprop-1-enyl)tetrahydropyran ID: AN-17447
CAS:16409-43-1
Supplier:AN PharmaTech Co Ltd

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SMILES:O1C(CC(CC1)C)C=C(C)C	27866
FORMULA: C10H18O
MASS: 154.2493
EXACT MASS: 154.1357652
INTERATOMIC DISTANCES

              O   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   C   2    2.0000     0.0000 
   C   3    1.7321     1.0001     0.0000 
   C   4    1.7320     1.0000     1.7321     0.0000 
   C   5    1.0001     1.7321     1.0000     2.0000     0.0000 
   C   6    1.0000     1.7320     2.0000     1.0000     1.7321     0.0000 
   C   7    3.0000     1.0000     1.7321     1.7320     2.6458     2.6457 
   C   8    1.7321     2.6458     1.7320     3.0000     1.0000     2.6458 
   C   9    2.0000     3.4641     2.6457     3.6056     1.7320     3.0000 
   C  10    3.0000     4.3589     3.4641     4.5826     2.6457     4.0000 
   C  11    1.7321     3.6056     3.0000     3.4641     2.0000     2.6458 
   H  12    2.3716     0.6200     1.6200     0.8743     2.2901     1.8397 
   H  13    2.3451     1.0813     0.6200     2.0295     1.5967     2.5068 
   H  14    2.0295     1.5968     0.6199     2.3451     1.0812     2.5068 
   H  15    2.0295     1.5968     2.3452     0.6200     2.5069     1.0812 
   H  16    2.3451     1.0813     2.0296     0.6200     2.5069     1.5967 
   H  17    0.8744     2.2901     1.6200     2.3716     0.6200     1.8397 
   H  18    1.0813     2.3451     2.5069     1.5967     2.0296     0.6200 
   H  19    1.5968     2.0295     2.5069     1.0812     2.3452     0.6200 
   H  20    3.0634     1.1766     2.1115     1.5200     2.9083     2.5121 
   H  21    3.6200     1.6200     2.2901     2.2901     3.2380     3.2380 
   H  22    3.0634     1.1766     1.5201     2.1114     2.5121     2.9083 
   H  23    2.2901     2.8292     1.8396     3.3533     1.4157     3.1408 
   H  24    3.0634     4.1517     3.1995     4.5067     2.5121     4.0478 
   H  25    3.6200     4.9340     4.0130     5.1927     3.2379     4.6200 
   H  26    3.0634     4.6403     3.8121     4.7390     2.9083     4.0477 
   H  27    2.3521     4.2047     3.5505     4.0841     2.5558     3.2567 
   H  28    1.8397     3.8242     3.3533     3.5191     2.3716     2.6008 
   H  29    1.1121     3.0148     2.4825     2.8442     1.4956     2.0404 

              C   7      C   8      C   9      C  10      C  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    3.4641     0.0000 
   C   9    4.3589     1.0000     0.0000 
   C  10    5.1962     1.7320     1.0000     0.0000 
   C  11    4.5826     1.7320     1.0000     1.7320     0.0000 
   H  12    0.8743     3.2380     4.0130     4.9340     4.0601     0.0000 
   H  13    1.4156     2.1829     3.1512     3.8917     3.5889     1.6309 
   H  14    2.1829     1.4155     2.4059     3.1021     2.9560     2.2128 
   H  15    2.1829     3.4977     4.0024     4.9969     3.7220     1.3135 
   H  16    1.4156     3.4978     4.1713     5.1332     4.0761     0.5870 
   H  17    3.2380     0.8743     1.2346     2.2145     1.3800     2.8059 
   H  18    3.2657     2.8114     2.9562     3.9400     2.4060     2.4530 
   H  19    2.8113     3.2657     3.5889     4.5875     3.1513     1.9444 
   H  20    0.6200     3.8121     4.6403     5.5323     4.7390     0.6950 
   H  21    0.6200     4.0131     4.9340     5.7415     5.1927     1.4158 
   H  22    0.6200     3.1995     4.1517     4.9156     4.5067     1.3470 
   H  23    3.5192     0.6200     1.4158     1.8397     2.2900     3.4457 
   H  24    4.9156     1.5200     1.1766     0.6200     2.1114     4.7520 
   H  25    5.7415     2.2900     1.6199     0.6200     2.2900     5.5188 
   H  26    5.5322     2.1114     1.1766     0.6200     1.5200     5.1842 
   H  27    5.1724     2.1114     1.1766     1.5200     0.6200     4.6722 
   H  28    4.8212     2.2901     1.6200     2.2901     0.6201     4.2100 
   H  29    4.0019     1.5200     1.1766     2.1114     0.6200     3.4508 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    0.7971     0.0000 
   H  15    2.6463     2.9532     0.0000 
   H  16    2.1562     2.6463     0.7971     0.0000 
   H  17    2.2128     1.6309     2.7884     2.9379     0.0000 
   H  18    3.0557     2.9499     1.5278     2.1652     1.9446     0.0000 
   H  19    2.9499     3.0556     0.7846     1.5278     2.4531     0.7971 
   H  20    1.9301     2.6421     1.8217     1.0254     3.4558     3.1165 
   H  21    1.8777     2.6726     2.6726     1.8777     3.8390     3.8564 
   H  22    1.0254     1.8217     2.6421     1.9301     3.1297     3.5194 
   H  23    2.1355     1.3414     3.8988     3.7875     1.4673     3.3700 
   H  24    3.5532     2.7563     4.9773     5.0166     2.2092     4.0823 
   H  25    4.4026     3.6062     5.6144     5.7361     2.8291     4.5535 
   H  26    4.2935     3.5239     5.0924     5.3199     2.3868     3.8924 
   H  27    4.1207     3.4423     4.3355     4.6959     1.9418     2.9834 
   H  28    3.9640     3.4017     3.6763     4.1391     1.7733     2.2280 
   H  29    3.0901     2.5289     3.1112     3.4564     0.8983     1.8563 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    2.5410     0.0000 
   H  21    3.3547     0.8768     0.0000 
   H  22    3.1810     1.2400     0.8768     0.0000 
   H  23    3.7574     3.9475     4.0130     3.1552     0.0000 
   H  24    4.6576     5.3060     5.4279     4.5762     1.4245     0.0000 
   H  25    5.2069     6.1021     6.2700     5.4278     2.2901     0.8768 
   H  26    4.6007     5.8161     6.1021     5.3059     2.3470     1.2399 
   H  27    3.7458     5.3476     5.7779     5.0675     2.5889     2.0379 
   H  28    3.0176     4.9027     5.4400     4.8188     2.8736     2.7145 
   H  29    2.5689     4.1339     4.6167     3.9636     2.1342     2.3520 

              H  25      H  26      H  27      H  28      H  29
              -------------------------------------------------------
   H  25    0.0000 
   H  26    0.8768     0.0000 
   H  27    1.9720     1.1120     0.0000 
   H  28    2.8059     1.9721     0.8769     0.0000 
   H  29    2.7144     2.0379     1.2399     0.8768     0.0000 



ATOMIC CHARGES
   O   1   -0.3725263832
   C   2   -0.0391672015
   C   3   -0.0203200100
   C   4   -0.0267561523
   C   5    0.0772718266
   C   6    0.0486679483
   C   7   -0.0622529539
   C   8   -0.0569147900
   C   9   -0.0772101325
   C  10   -0.0439693249
   C  11   -0.0439693249
   H  12    0.0299733169
   H  13    0.0295859715
   H  14    0.0295859715
   H  15    0.0289915166
   H  16    0.0289915166
   H  17    0.0640303570
   H  18    0.0559984550
   H  19    0.0559984550
   H  20    0.0232436797
   H  21    0.0232436797
   H  22    0.0232436797
   H  23    0.0596923297
   H  24    0.0274279282
   H  25    0.0274279282
   H  26    0.0274279282
   H  27    0.0274279282
   H  28    0.0274279282
   H  29    0.0274279282


BOND ANGLES
   5    1    6   C3   O3   C3    120.001
   3    2    4   C3   C3   C3    120.001
   3    2    7   C3   C3   C3    119.998
   3    2   12   C3   C3   HC    179.974
   4    2    7   C3   C3   C3    120.001
   4    2   12   C3   C3   HC     60.002
   7    2   12   C3   C3   HC     59.998
   2    3    5   C3   C3   C3    119.998
   2    3   13   C3   C3   HC     79.998
   2    3   14   C3   C3   HC    160.007
   5    3   13   C3   C3   HC    160.004
   5    3   14   C3   C3   HC     79.995
  13    3   14   HC   C3   HC     80.009
   2    4    6   C3   C3   C3    120.001
   2    4   15   C3   C3   HC    160.002
   2    4   16   C3   C3   HC     80.004
   6    4   15   C3   C3   HC     79.997
   6    4   16   C3   C3   HC    159.996
  15    4   16   HC   C3   HC     79.999
   1    5    3   O3   C3   C3    119.998
   1    5    8   O3   C3   C2    120.001
   1    5   17   O3   C3   HC     60.002
   3    5    8   C3   C3   C2    120.001
   3    5   17   C3   C3   HC    179.974
   8    5   17   C2   C3   HC     59.999
   1    6    4   O3   C3   C3    120.001
   1    6   18   O3   C3   HC     80.004
   1    6   19   O3   C3   HC    160.002
   4    6   18   C3   C3   HC    159.996
   4    6   19   C3   C3   HC     79.997
  18    6   19   HC   C3   HC     79.999
   2    7   20   C3   C3   HC     90.000
   2    7   21   C3   C3   HC    179.974
   2    7   22   C3   C3   HC     90.000
  20    7   21   HC   C3   HC     90.000
  20    7   22   HC   C3   HC    179.974
  21    7   22   HC   C3   HC     90.000
   5    8    9   C3   C2   C2    120.001
   5    8   23   C3   C2   HC    119.998
   9    8   23   C2   C2   HC    120.002
   8    9   10   C2   C2   C3    120.001
   8    9   11   C2   C2   C3    120.001
  10    9   11   C3   C2   C3    119.999
   9   10   24   C2   C3   HC     90.001
   9   10   25   C2   C3   HC    179.974
   9   10   26   C2   C3   HC     89.999
  24   10   25   HC   C3   HC     90.000
  24   10   26   HC   C3   HC    179.974
  25   10   26   HC   C3   HC     90.000
   9   11   27   C2   C3   HC     89.999
   9   11   28   C2   C3   HC    179.974
   9   11   29   C2   C3   HC     90.001
  27   11   28   HC   C3   HC     90.005
  27   11   29   HC   C3   HC    179.974
  28   11   29   HC   C3   HC     89.995


TORSION ANGLES
   6    1    5    3      0.026
   6    1    5    8    179.974
   6    1    5   17    179.974
   5    1    6    4      0.026
   5    1    6   18    179.974
   5    1    6   19    179.974
   4    2    3    5      0.026
   4    2    3   13    179.974
   4    2    3   14    179.974
   7    2    3    5    179.974
   7    2    3   13      0.026
   7    2    3   14      0.026
  12    2    3    5    179.974
  12    2    3   13      0.026
  12    2    3   14      0.026
   3    2    4    6      0.026
   3    2    4   15    179.974
   3    2    4   16    179.974
   7    2    4    6    179.974
   7    2    4   15      0.026
   7    2    4   16      0.026
  12    2    4    6    179.974
  12    2    4   15      0.026
  12    2    4   16      0.026
   3    2    7   20    179.974
   3    2    7   21    180.000
   3    2    7   22      0.026
   4    2    7   20      0.026
   4    2    7   21    180.000
   4    2    7   22    179.974
  12    2    7   20      0.026
  12    2    7   21    180.000
  12    2    7   22    179.974
   2    3    5    1      0.026
   2    3    5    8    179.974
   2    3    5   17    180.000
  13    3    5    1    179.974
  13    3    5    8      0.026
  13    3    5   17    180.000
  14    3    5    1    179.974
  14    3    5    8      0.026
  14    3    5   17    180.000
   2    4    6    1      0.026
   2    4    6   18    179.974
   2    4    6   19    179.974
  15    4    6    1    179.974
  15    4    6   18      0.026
  15    4    6   19      0.026
  16    4    6    1    179.974
  16    4    6   18      0.026
  16    4    6   19      0.026
   1    5    8    9      0.026
   1    5    8   23    179.974
   3    5    8    9    179.974
   3    5    8   23      0.026
  17    5    8    9      0.026
  17    5    8   23    179.974
   5    8    9   10    179.974
   5    8    9   11      0.026
  23    8    9   10      0.026
  23    8    9   11    179.974
   8    9   10   24      0.026
   8    9   10   25    179.974
   8    9   10   26    179.974
  11    9   10   24    179.974
  11    9   10   25      0.026
  11    9   10   26      0.026
   8    9   11   27    179.974
   8    9   11   28      0.026
   8    9   11   29      0.026
  10    9   11   27      0.026
  10    9   11   28    179.974
  10    9   11   29    179.974


CHIRAL ATOMS
  10    9   11   29    179.974
  10    9   11   29    179.974